Professor Nora De Leeuw
Projects as PI
- A co-ordinated, comprehensive approach to carbon capture and utilisation (01/01/2015 - 06/09/2017)
- Bio-inspired sulphide nanocatalysts: From proof of concept to 'real' catalysis (01/01/2015 - 31/10/2017)
- Computational catalysis: A sustainable UK-South Africa partnership in high performance computing (08/11/2015 - 07/05/2019)
- Energy materials: Computational solutions (01/02/2015 - 19/05/2019)
- EPSRC GCRF Institutional Sponsorship Funding (01/07/2017 - 31/03/2018)
Projects as Co-Investigator
- A computational study exploring the molecular basis of anaesthesia (02/04/2018 - 31/03/2022)
- Computational Nano-materials and Catalysis (01/10/2017 - 30/09/2020)
- Computational study of zeolites as catalysts for the chemical conversion of lignin-derived compounds (07/04/2014 - 30/03/2018)
- Computer aided design of conducting polymers for solar cell application (01/10/2016 - 30/09/2019)
- IIT Ropar and IIT Madras visits 2018 (01/01/2018 - 31/03/2018)
Research Datasets
- Adsorption of Oxygen on Low Miller index Surfaces of hcp Cobalt - Farkas B, Cadi-Essadek A, Santos Carballal D, et al. (2018). Cardiff University. 10.17035/d.2018.0052762507. Computational chemistry Molecular modelling Charge Density
- Altering the conductivity of CuO through the formation of intrinsic defects - data - Živković A, de Leeuw NH (2020). Cardiff University. 10.17035/d.2019.0089582693. Photovoltaic Systems Materials Sciences
- Atomistic molecular dynamics simulations of propofol and fentanyl in phosphatidylcholine lipid bilayers - data - Faulkner C, Santos-Carballal D, Plant DF, et al. (2020). Cardiff University. 10.17035/d.2020.0092362446. Molecular dynamics Computational chemistry Lipid Bilayers
- AuCo nanoparticles: ordering, magnetisation, and morphology trends predicted by DFT - data - Farkas B, de Leeuw NH (2022). Cardiff University. 10.17035/d.2022.0164147661. Computational chemistry
- Behaviour of S, SO and SO3 on Pt (001), (011) and (111) surfaces: A DFT Study - data - Ungerer MJ, van Sittert CGCE, de Leeuw NH (2021). Cardiff University. 10.17035/d.2021.0126222709. Monolayer Surfaces Adsorption Intramolecular Interactions Simulations